1,1,1-Trifluoro-4-ethoxy-3-methyl-3-buten-2-one

Base Information

• Chemical Name: 1,1,1-Trifluoro-4-ethoxy-3-methyl-3-buten-2-one
• CAS No.: 121781-56-4
• Molecular Formula: C₇H₉F₃O₂
• Molecular Weight: 182.142
• European Community (EC) Number: 866-018-3
• Nikkaji Number: J385.521J
• Mol file: 121781-56-4.mol

Synonyms:153085-12-2;(3E)-4-Ethoxy-1,1,1-trifluoro-3-methylbut-3-en-2-one;121781-56-4;1,1,1-Trifluoro-4-ethoxy-3-methyl-3-buten-2-one;(E)-4-Ethoxy-1,1,1-trifluoro-3-methylbut-3-en-2-one;(3E)-4-ethoxy-1,1,1-trifluoro-3-methylbut-3-en-2-one, E;4-ETHOXY-1,1,1-TRIFLUORO-3-METHYLBUT-3-EN-2-ONE;SCHEMBL3480828;MFCD30730450;STL588184;AKOS040891049;EN300-128598;EN300-321087

Chemical Property of 1,1,1-Trifluoro-4-ethoxy-3-methyl-3-buten-2-one

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 182.05546401
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC=C(C)C(=O)C(F)(F)F
• Isomeric SMILES: CCO/C=C(\C)/C(=O)C(F)(F)F